General Information of the Compound
| Compound ID |
CP0948388
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| Compound Name |
(3R,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
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| Structure |
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| Formula |
C15H20N2O3
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| Molecular Weight |
276.336
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| Canonical SMILES |
CN(CCO)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O
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| InChI |
InChI=1S/C15H20N2O3/c1-15(2)14(19)13(17(3)6-7-18)11-8-10(9-16)4-5-12(11)20-15/h4-5,8,13-14,18-19H,6-7H2,1-3H3/t13-,14+/m0/s1
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| InChIKey |
BUDHHNJXPSJFIP-UONOGXRCSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound